[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-Ethyl-9,11,13-Trimethyl-8,16-Dioxo-12-{[3,4,6-Trideoxy-3-(Dimethylamino)-β-D-Xylo-Hexopyranosyl]Oxy}Oxacyclohexadeca-4,6,14-Trien-3-Yl]Methyl 6-Deoxy-2,3-Di-O-Methyl-β-D-Allopyranoside

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Properties Simple | Detailed

Formula C37H61NO11
IUPAC Name (3e,5s,6s,7s,9r,11e,13e,15r,16r)-6-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
Molecular Mass 695.880 g·mol−1
Heat of Formation -2007.4 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 891.26 Å 3
Surface Area 662.6 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 3.01 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5s,6s,7s,9r,11e,13e,15r,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyl-oxan-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
  • (3e,5s,6s,7s,9r,11e,13e,15r,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
  • (3e,5s,6s,7s,9r,11e,13e,15r,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-quinone
  • (3e,5s,6s,7s,9r,11e,13e,15r,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
  • (3e,5s,6s,7s,9r,11e,13e,15r,16r)-6-[[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-16-ethyl-15-[[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
  • 12,13-deepoxy-12,13-didehydromycinamicin i
  • antibiotic a 11725 ia
  • mycinamicin i, 12,13-deepoxy-12,13-didehydro-
  • mycinamicin iv
  • mycinomycin iv
CAS Number(s)
  • 73684-71-6
InChIKey DBTIHDIIXPQOFR-JMHKOBKLSA-N
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